4-(pentylsulfamoyl)thiophene-2-carboxylic acid

C10H15NO4S2 — CID 61072767

IUPAC4-(pentylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCCCCNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H15NO4S2/c1-2-3-4-5-11-17(14,15)8-6-9(10(12)13)16-7-8/h6-7,11H,2-5H2,1H3,(H,12,13)
InChIKeyAHVPQIGJDSMXIE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.91
Rot. Bonds7

About 4-(pentylsulfamoyl)thiophene-2-carboxylic acid

4-(pentylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61072767) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(pentylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(pentylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61072767
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name4-(pentylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCCCCNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H15NO4S2/c1-2-3-4-5-11-17(14,15)8-6-9(10(12)13)16-7-8/h6-7,11H,2-5H2,1H3,(H,12,13)
InChIKeyAHVPQIGJDSMXIE-UHFFFAOYSA-N
XLogP1.91
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61063461
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
CID 104654649
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345
methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate
CID 120583848
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796
4-[2-(3-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61073730
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 115588760
4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 138032189
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311

Frequently Asked Questions

What is the IUPAC name of 4-(pentylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(pentylsulfamoyl)thiophene-2-carboxylic acid (CID 61072767) is 4-(pentylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(pentylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(pentylsulfamoyl)thiophene-2-carboxylic acid is CCCCCNS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(pentylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is AHVPQIGJDSMXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-2-3-4-5-11-17(14,15)8-6-9(10(12)13)16-7-8/h6-7,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-(pentylsulfamoyl)thiophene-2-carboxylic acid?
4-(pentylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61072767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).